Enzymatic transition states and inhibitor design from principles of classical and quantum chemistry

Physics & Astronomy

• quantum chemistry 100%
• inhibitors 94%
• isotope effect 20%
• enzymes 19%
• nucleosides 19%
• adenosine monophosphate 9%
• purines 9%
• kinetics 7%
• affinity 6%
• electronics 6%
• potential energy 5%
• analogs 4%
• substitutes 4%
• wave functions 4%
• electrostatics 4%
• color 4%
• geometry 3%
• molecules 3%
• atoms 3%
• interactions 2%
• energy 1%

Chemical Compounds

• Quantum Chemistry 87%
• Transition State 66%
• Transition State Structure 22%
• Kinetic Isotope Effect 19%
• Order of Molecularity 14%
• Bacterial Toxin 13%
• Purine Nucleoside 11%
• Wave Function 10%
• Bond Energy 10%
• Electrostatic Potential 9%
• Isotope Effect 9%
• Potential Energy 9%
• Enzymatic Reaction 9%
• Nucleoside 8%
• Kd 6%
• Catalysis 5%
• Substitution Reaction 5%
• Molecule 3%
• Surface 2%